HRID108688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID66940366

未命名化合物

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：COc1c(Cl)ccc2cc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)ncc12

HCID58026360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c808cde3c7143d9b9bbc226a21eb6a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([C:14](=[O:15])[OH:16])[n:8][cH:9][c:10]2[c:11]1[O:12][CH3:13].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1.[nH:17]1[c:18]([NH:22][C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][c:29]3[n:30][c:31]([NH2:34])[nH:32][c:33]23)[n:19][cH:20][cH:21]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([C:14](=[O:16])[NH:34][c:31]3[nH:30][c:29]4[cH:28][cH:27][cH:26][c:25]([C:23]([NH:22][c:18]5[n:17][cH:21][cH:20][nH:19]5)=[O:24])[c:33]4[n:32]3)[n:8][cH:9][c:10]2[c:11]1[O:12][CH3:13]